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7-Oxabicyclo[4.1.0]heptane, acetic acid deriv.
SpectraBase Compound ID BnzBC7cqlEj
InChI InChI=1S/C14H20O3/c1-5-16-13(15)8-11-6-10(9(2)3)7-12-14(11,4)17-12/h8,10,12H,2,5-7H2,1,3-4H3/b11-8+/t10-,12+,14+/m0/s1
InChIKey BUHYOSLOHDMDPP-MMFYZXEWSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VxYbFETPCK
Name 7-Oxabicyclo[4.1.0]heptane, acetic acid deriv.
CAS Registry Number 81570-18-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-5-16-13(15)8-11-6-10(9(2)3)7-12-14(11,4)17-12/h8,10,12H,2,5-7H2,1,3-4H3/b11-8+/t10-,12+,14+/m0/s1
InChIKey BUHYOSLOHDMDPP-MMFYZXEWSA-N
Molecular Weight 236.311 g/mol
SMILES [C@]12(O[C@@]2(C[C@](C\C1=C\C(=O)OCC)(C(=C)C)[H])[H])C
SPLASH splash10-014i-0920000000-ad2a732c5882457e1af9
Source of Spectrum J-51-3103-15
Synonyms Acetic acid, [1-methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]hept-2-ylidene]-, ethyl ester, [1R-(1.alpha.,2E,4.alpha.,6.alpha.)]- Ethyl (2E)-[(1R,4S,6R)-4-isopropenyl-1-methyl-7-oxabicyclo[4.1.0]hept-2-ylidene]ethanoate [1R-(1.alpha.,2E,4.alpha.,6.alpha.)][1-methyl-4-(1-methylethenyl)-7-oxa-bicyclo[4.1.0]hept-2-ylidene]acetic acid ethyl ester
Wiley ID 1238402